(3-oxidanylidenepyrazol-4-yl) (E)-3-(4-chlorophenyl)prop-2-enoate

Systemtic Name: (3-oxidanylidenepyrazol-4-yl) (E)-3-(4-chlorophenyl)prop-2-enoate Openeye Name: (3-oxopyrazol-4-yl) (E)-3-(4-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-propenoic acid (3-oxo-4-pyrazolyl) ester IUPAC Name: (3-oxopyrazol-4-yl) (E)-3-(4-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)acrylic acid (3-ketopyrazol-4-yl) ester Formula: C12H7ClN2O3 MolecularWeight: 262.64858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OC2=CN=NC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OC2=CN=NC2=O)Cl

InChI

InChI=1S/C12H7ClN2O3/c13-9-4-1-8(2-5-9)3-6-11(16)18-10-7-14-15-12(10)17/h1-7H/b6-3+